Toluene → HCID 10300938, compound

HRID 1568126Notes

Reaction equation

HRID 1568126 reaction equation
[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:56][CH2:57][Cl:58].[O:8]=[C:9]([CH2:10][CH2:11][CH2:12][O:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][CH:19]([NH:20][c:21]2[n:22][n:23][n:24][n:25]2[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:40][cH:41]1)[NH:42][C:43]1=[N:48][CH2:47][CH2:46][CH2:45][NH:44]1.[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[O:8]=[C:9]([CH2:10][CH2:11][CH2:12][O:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][CH:19]([NH:20][c:21]2[n:22][n:23][n:24][n:25]2[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[C:33](=[O:34])[OH:35])[cH:40][cH:41]1)[NH:42][C:43]1=[N:48][CH2:47][CH2:46][CH2:45][NH:44]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 77704681HCID 77704681, compound

Product 1

HCID 10300938HCID 10300938, compound

Sources & evidence

ORD record
ord-35dd069e106a4a0c90077269d3c53f22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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